N-cyclopropyl-N-[2-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl-prop-2-enyl-amino]-2-oxidanylidene-ethyl]octanamide

Systemtic Name: N-cyclopropyl-N-[2-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl-prop-2-enyl-amino]-2-oxidanylidene-ethyl]octanamide Openeye Name: N-[2-[allyl-[[1-(o-tolylmethyl)pyrrol-2-yl]methyl]amino]-2-oxo-ethyl]-N-cyclopropyl-octanamide CAS Name: N-cyclopropyl-N-[2-[[1-[(2-methylphenyl)methyl]-2-pyrrolyl]methyl-prop-2-enylamino]-2-oxoethyl]octanamide IUPAC Name: N-cyclopropyl-N-[2-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl-prop-2-enylamino]-2-oxoethyl]octanamide Traditional Name: N-[2-[allyl-[[1-(2-methylbenzyl)pyrrol-2-yl]methyl]amino]-2-keto-ethyl]-N-cyclopropyl-caprylamide Formula: C29H41N3O2 MolecularWeight: 463.65474

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)N(CC(=O)N(CC=C)CC1=CC=CN1CC2=CC=CC=C2C)C3CC3

Isomeric SMILES

CCCCCCCC(=O)N(CC(=O)N(CC=C)CC1=CC=CN1CC2=CC=CC=C2C)C3CC3

InChI

InChI=1S/C29H41N3O2/c1-4-6-7-8-9-16-28(33)32(26-17-18-26)23-29(34)31(19-5-2)22-27-15-12-20-30(27)21-25-14-11-10-13-24(25)3/h5,10-15,20,26H,2,4,6-9,16-19,21-23H2,1,3H3